III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -82.9680211 |
correlated core | -82.9840311 |
difference | -0.0160100 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680211 |
correlated core | -82.9840312 |
difference | -0.0160102 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680211 |
correlated core | -82.9840310 |
difference | -0.0160099 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840311 |
difference | -0.0160099 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840312 |
difference | -0.0160101 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840310 |
difference | -0.0160099 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840311 |
difference | -0.0160099 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840312 |
difference | -0.0160101 |
Energy (hartrees) | |
---|---|
frozen core | -82.9680212 |
correlated core | -82.9840310 |
difference | -0.0160098 |